==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAR-08 3CGD . COMPND 2 MOLECULE: PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE, CLA . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR J.R.WALLEN . 888 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 81 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 2 2 2 0 0 0 2 8 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 6 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 4 1 5 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 126 0, 0.0 26,-3.6 0, 0.0 2,-1.0 0.000 360.0 360.0 360.0 -52.2 67.3 68.6 20.4 2 2 A N E +a 27 0A 48 24,-0.2 104,-3.0 26,-0.1 105,-1.9 -0.734 360.0 174.8 -87.9 103.6 65.5 66.7 17.6 3 3 A Y E -ab 28 107A 20 24,-2.7 26,-3.0 -2,-1.0 2,-0.4 -0.918 9.5-169.1-107.9 129.2 63.8 63.6 19.1 4 4 A V E -ab 29 108A 1 103,-2.3 105,-2.5 -2,-0.5 2,-0.4 -0.969 1.5-170.7-118.0 131.6 61.5 61.5 16.9 5 5 A I E -ab 30 109A 0 24,-2.7 26,-3.2 -2,-0.4 2,-0.7 -0.984 11.1-152.8-124.2 130.0 59.3 58.8 18.4 6 6 A I E S+ab 31 110A 7 103,-2.4 105,-2.6 -2,-0.4 26,-0.2 -0.916 70.4 36.8-105.8 113.9 57.3 56.2 16.4 7 7 A G - 0 0 8 24,-2.5 25,-0.2 -2,-0.7 24,-0.1 0.293 65.8-140.3 111.6 119.5 54.2 55.0 18.2 8 8 A G + 0 0 0 28,-0.1 30,-2.0 4,-0.1 24,-0.1 -0.173 70.0 75.8-104.3 41.3 52.0 57.2 20.3 9 9 A D S > S- 0 0 33 102,-0.4 4,-2.6 28,-0.2 5,-0.4 -0.083 97.5 -34.0-124.0-137.5 51.1 54.8 23.2 10 10 A A H > S+ 0 0 28 29,-0.2 4,-1.5 2,-0.2 5,-0.2 0.943 132.2 31.2 -60.5 -57.0 52.6 53.3 26.3 11 11 A A H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.962 123.7 47.0 -68.6 -48.5 56.3 52.9 25.4 12 12 A G H > S+ 0 0 1 99,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.889 116.4 40.8 -58.5 -48.2 56.4 55.9 23.0 13 13 A M H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.747 108.3 59.9 -79.9 -24.3 54.7 58.5 25.2 14 14 A S H X S+ 0 0 22 -4,-1.5 4,-1.3 -5,-0.4 -1,-0.2 0.917 110.3 45.3 -63.9 -39.9 56.4 57.3 28.4 15 15 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.921 110.0 54.2 -63.5 -46.9 59.6 58.3 26.6 16 16 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.870 106.4 51.8 -54.2 -45.5 58.2 61.6 25.4 17 17 A M H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.873 108.8 50.5 -63.2 -39.1 57.3 62.6 28.9 18 18 A Q H X S+ 0 0 13 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.914 113.3 44.8 -64.0 -45.1 60.8 62.0 30.2 19 19 A I H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 7,-0.2 0.951 114.5 48.8 -64.8 -49.0 62.4 64.0 27.4 20 20 A V H >< S+ 0 0 26 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.883 115.5 43.6 -57.8 -44.7 59.9 66.9 27.7 21 21 A R H 3< S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 120.5 39.8 -70.9 -32.9 60.3 67.0 31.5 22 22 A N H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.173 119.2 41.0-110.9 15.5 64.1 66.8 31.5 23 23 A D X< - 0 0 38 -4,-0.6 3,-0.7 -3,-0.5 -1,-0.2 -0.656 54.8-176.5-161.9 99.0 65.0 68.9 28.5 24 24 A E T 3 S+ 0 0 157 1,-0.2 -4,-0.1 -2,-0.2 -2,-0.0 0.698 86.3 56.0 -72.0 -20.1 63.1 72.2 28.0 25 25 A N T 3 S+ 0 0 125 2,-0.1 -1,-0.2 0, 0.0 -5,-0.1 0.647 83.5 120.1 -84.0 -16.8 64.9 72.9 24.7 26 26 A A < - 0 0 23 -3,-0.7 2,-0.7 -7,-0.2 -24,-0.2 -0.124 54.8-147.0 -62.2 139.1 63.9 69.6 23.0 27 27 A N E -a 2 0A 70 -26,-3.6 -24,-2.7 45,-0.1 2,-0.6 -0.905 21.4-168.0-103.0 104.0 61.9 69.3 19.9 28 28 A V E -a 3 0A 2 -2,-0.7 45,-3.1 43,-0.3 2,-0.5 -0.841 9.2-176.8 -97.5 119.6 59.8 66.1 20.2 29 29 A V E -ac 4 73A 11 -26,-3.0 -24,-2.7 -2,-0.6 2,-0.4 -0.972 5.7-168.8-109.3 126.1 58.0 64.8 17.2 30 30 A T E -ac 5 74A 0 43,-1.7 45,-3.1 -2,-0.5 2,-0.6 -0.971 6.4-155.1-115.5 135.9 55.8 61.7 17.8 31 31 A L E +ac 6 75A 1 -26,-3.2 -24,-2.5 -2,-0.4 2,-0.5 -0.920 13.9 178.5-118.4 110.4 54.4 59.8 14.9 32 32 A E - 0 0 33 43,-1.9 46,-3.0 -2,-0.6 47,-0.1 -0.947 22.2-156.8-120.8 130.7 51.2 57.8 15.3 33 33 A K S S+ 0 0 103 -2,-0.5 46,-0.2 44,-0.3 62,-0.2 0.853 80.3 48.9 -71.7 -39.6 49.5 55.8 12.6 34 34 A G S S- 0 0 27 2,-0.2 43,-3.1 44,-0.1 44,-0.3 0.143 90.7-109.3 -84.4-157.0 46.1 55.8 14.2 35 35 A E S S+ 0 0 107 41,-0.2 2,-0.5 42,-0.1 41,-0.1 0.400 88.7 79.4-116.4 -3.0 44.1 58.7 15.7 36 36 A I - 0 0 46 26,-0.1 3,-0.2 27,-0.0 -2,-0.2 -0.942 56.7-164.9-121.1 119.6 44.3 57.8 19.4 37 37 A Y + 0 0 6 -2,-0.5 24,-0.2 1,-0.2 -28,-0.2 -0.496 64.2 1.6 -87.7 163.4 47.2 58.5 21.8 38 38 A S S S+ 0 0 16 -30,-2.0 22,-2.9 -2,-0.2 23,-1.2 0.710 81.8 155.1 27.2 80.9 47.9 57.0 25.2 39 39 A Y B -F 59 0B 33 20,-0.3 2,-1.0 -3,-0.2 20,-0.2 -0.870 48.0-106.3-132.4 164.9 45.0 54.6 25.8 40 40 A A > + 0 0 17 18,-1.7 3,-1.6 -2,-0.3 4,-0.4 -0.745 26.8 178.2-100.5 93.5 44.4 51.5 27.9 41 41 A Q G > S+ 0 0 61 -2,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.820 82.2 67.9 -57.3 -30.3 44.3 48.3 25.7 42 42 A C G 3 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.724 94.9 53.5 -61.7 -27.9 43.8 46.5 29.0 43 43 A G G <> S+ 0 0 0 -3,-1.6 4,-0.9 1,-0.2 3,-0.5 0.503 82.1 92.6 -89.1 -5.4 40.3 47.9 29.4 44 44 A L H X> S+ 0 0 4 -3,-1.3 4,-2.3 -4,-0.4 3,-0.9 0.896 82.8 51.1 -56.1 -48.6 39.0 46.9 26.0 45 45 A P H 3> S+ 0 0 7 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.829 112.1 49.6 -60.3 -28.1 37.5 43.5 27.1 46 46 A Y H 34>S+ 0 0 6 -3,-0.5 6,-2.1 -4,-0.2 5,-0.7 0.552 107.6 52.6 -89.9 -11.8 35.7 45.4 29.9 47 47 A V H X<5S+ 0 0 5 -3,-0.9 3,-1.1 -4,-0.9 -1,-0.2 0.865 108.8 50.6 -80.0 -44.4 34.3 48.0 27.5 48 48 A I H 3<5S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.839 107.9 53.2 -62.6 -33.4 32.9 45.3 25.3 49 49 A S T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.678 114.3-118.1 -73.0 -18.6 31.3 43.6 28.3 50 50 A G T < 5S+ 0 0 58 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.409 84.5 118.4 92.8 0.2 29.6 46.9 29.2 51 51 A A S - 0 0 41 -3,-0.1 3,-1.0 1,-0.0 -1,-0.1 -0.945 61.2 -98.3-157.5 169.9 32.8 53.6 26.8 55 55 A T G > S+ 0 0 17 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 0.684 111.3 76.7 -69.4 -21.9 36.2 53.5 25.1 56 56 A E G > S+ 0 0 149 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.835 85.7 62.9 -52.7 -36.6 36.6 57.3 26.0 57 57 A K G < S+ 0 0 114 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.566 93.7 64.1 -68.6 -9.7 37.2 56.2 29.5 58 58 A L G < S+ 0 0 3 -3,-1.9 -18,-1.7 -4,-0.1 2,-0.5 0.548 73.8 104.4 -94.7 -10.4 40.4 54.4 28.3 59 59 A I B < -F 39 0B 61 -3,-1.4 -20,-0.3 -4,-0.3 3,-0.1 -0.624 44.3-177.7 -74.0 121.0 42.2 57.5 27.2 60 60 A A S S+ 0 0 84 -22,-2.9 2,-0.3 -2,-0.5 -21,-0.2 0.801 70.8 9.0 -88.4 -35.9 45.0 58.4 29.7 61 61 A R S S- 0 0 86 -23,-1.2 -1,-0.3 -24,-0.2 2,-0.1 -0.972 75.2-125.2-150.9 134.0 46.2 61.5 28.0 62 62 A N > - 0 0 87 -2,-0.3 4,-2.7 -3,-0.1 5,-0.1 -0.429 16.7-129.8 -75.4 149.1 44.9 63.6 25.1 63 63 A V H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 11,-0.2 0.844 116.5 55.8 -60.6 -34.9 46.9 64.6 22.0 64 64 A K H > S+ 0 0 138 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.878 107.0 48.3 -64.9 -40.2 45.6 68.1 22.8 65 65 A T H >>S+ 0 0 48 2,-0.2 4,-1.8 3,-0.2 5,-1.3 0.955 111.7 50.0 -61.4 -49.8 47.2 67.7 26.2 66 66 A F H <5S+ 0 0 3 -4,-2.7 6,-2.2 3,-0.2 4,-0.4 0.906 119.0 37.9 -55.2 -46.2 50.4 66.4 24.6 67 67 A R H X5S+ 0 0 97 -4,-2.8 4,-0.8 4,-0.2 -2,-0.2 0.957 124.9 33.8 -71.1 -54.5 50.5 69.4 22.2 68 68 A D H <5S+ 0 0 112 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.925 128.3 30.3 -74.6 -48.1 49.3 72.3 24.4 69 69 A K T <5S+ 0 0 153 -4,-1.8 -3,-0.2 -5,-0.5 -1,-0.1 0.863 133.4 27.9 -82.6 -37.4 50.6 71.5 27.9 70 70 A Y T 4> -G 89 0C 46 5,-3.0 5,-2.0 -2,-0.4 4,-1.3 -0.914 12.7-175.7-104.3 101.3 67.1 56.1 6.7 85 85 A T T 45S+ 0 0 24 -2,-0.7 -1,-0.1 3,-0.2 5,-0.1 0.686 80.5 52.9 -74.6 -20.2 69.5 55.6 9.6 86 86 A E T 45S+ 0 0 171 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.912 118.6 34.1 -78.4 -47.3 72.5 57.2 7.6 87 87 A K T 45S- 0 0 144 2,-0.1 -2,-0.2 17,-0.0 -1,-0.1 0.618 106.4-129.8 -78.0 -15.7 70.7 60.4 6.7 88 88 A K T <5 + 0 0 52 -4,-1.3 17,-2.1 1,-0.2 2,-0.4 0.953 59.1 139.8 60.4 54.0 68.8 60.3 10.1 89 89 A I E < -GH 84 104C 26 -5,-2.0 -5,-3.0 15,-0.2 2,-0.4 -0.993 42.4-152.2-132.2 134.5 65.4 60.8 8.4 90 90 A V E -GH 83 103C 0 13,-3.4 13,-1.9 -2,-0.4 2,-0.6 -0.888 12.2-148.1-105.3 135.3 62.1 59.2 9.1 91 91 A Y E -GH 82 102C 30 -9,-2.9 -10,-2.7 -2,-0.4 -9,-1.3 -0.920 17.2-177.2-111.8 117.9 59.5 58.8 6.3 92 92 A A E -GH 80 101C 0 9,-2.9 9,-3.5 -2,-0.6 2,-0.5 -0.934 13.6-153.9-119.8 136.8 55.9 59.0 7.2 93 93 A E E -GH 79 100C 51 -14,-3.5 -14,-2.5 -2,-0.4 2,-0.4 -0.909 24.9-121.4-106.5 127.4 52.9 58.5 4.9 94 94 A H E > -G 78 0C 33 5,-3.2 4,-2.0 -2,-0.5 -16,-0.2 -0.597 21.5-139.3 -66.7 122.4 49.5 60.2 5.8 95 95 A T T 4 S+ 0 0 27 -18,-2.4 -1,-0.1 -2,-0.4 -17,-0.1 0.666 95.1 30.8 -62.2 -19.9 47.1 57.2 6.0 96 96 A K T 4 S+ 0 0 112 -19,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.852 129.0 31.4-102.9 -58.3 44.3 59.2 4.3 97 97 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.693 91.9-138.8 -75.9 -20.0 45.9 61.6 1.8 98 98 A K < + 0 0 116 -4,-2.0 -3,-0.1 1,-0.2 -1,-0.1 0.488 49.3 151.7 70.3 5.7 48.8 59.3 1.2 99 99 A D - 0 0 90 -6,-0.1 -5,-3.2 1,-0.1 2,-0.4 -0.364 41.8-128.2 -65.3 146.2 51.1 62.3 1.2 100 100 A V E -H 93 0C 89 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.865 22.8-169.6-108.7 131.5 54.7 61.7 2.4 101 101 A F E -H 92 0C 78 -9,-3.5 -9,-2.9 -2,-0.4 2,-0.4 -0.943 10.6-144.7-122.8 139.8 56.5 63.6 5.1 102 102 A E E -H 91 0C 129 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.808 12.8-175.0-104.9 143.7 60.1 63.7 6.2 103 103 A F E -H 90 0C 30 -13,-1.9 -13,-3.4 -2,-0.4 2,-0.3 -0.972 11.7-152.2-138.9 117.0 61.3 64.1 9.7 104 104 A S E -H 89 0C 73 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.703 17.6-167.1 -90.8 145.3 65.0 64.4 10.6 105 105 A Y - 0 0 3 -17,-2.1 -102,-0.2 -2,-0.3 3,-0.1 -0.919 35.1-162.9-128.0 152.4 66.2 63.2 14.0 106 106 A D S S+ 0 0 71 -104,-3.0 2,-0.4 1,-0.4 -103,-0.2 0.727 98.0 17.4 -89.0 -42.5 69.2 63.4 16.2 107 107 A R E S-b 3 0A 56 -105,-1.9 -103,-2.3 -3,-0.1 2,-0.4 -0.999 74.3-161.1-133.0 138.3 67.8 60.5 18.2 108 108 A L E -bd 4 277A 0 168,-2.7 170,-3.0 -2,-0.4 2,-0.4 -0.912 3.7-166.0-118.3 137.4 65.1 58.0 17.2 109 109 A L E -bd 5 278A 0 -105,-2.5 -103,-2.4 -2,-0.4 2,-0.6 -0.989 9.3-153.0-120.5 132.0 62.9 55.7 19.3 110 110 A I E +bd 6 279A 0 168,-2.5 170,-2.0 -2,-0.4 -103,-0.1 -0.913 29.3 153.9-101.7 121.0 60.9 52.9 17.8 111 111 A A + 0 0 11 -105,-2.6 -99,-0.4 -2,-0.6 -102,-0.4 -0.320 18.4 136.5-141.4 48.5 57.8 52.1 19.9 112 112 A T - 0 0 28 1,-0.2 -105,-0.1 135,-0.2 169,-0.1 0.436 45.2-158.9 -84.4 -2.1 55.5 50.6 17.3 113 113 A G - 0 0 18 167,-0.4 134,-2.7 133,-0.1 2,-0.3 -0.128 28.6 -57.1 61.9-154.7 54.4 47.7 19.6 114 114 A V E -I 246 0D 6 132,-0.3 169,-0.1 133,-0.1 168,-0.1 -0.783 40.0-143.0-119.2 163.2 52.8 44.5 18.2 115 115 A R E -I 245 0D 92 130,-2.5 130,-2.5 -2,-0.3 2,-0.1 -0.953 30.2 -99.9-124.2 148.2 49.8 43.6 16.0 116 116 A P E -I 244 0D 25 0, 0.0 2,-0.4 0, 0.0 128,-0.3 -0.397 39.7-119.2 -64.4 144.3 47.4 40.7 16.3 117 117 A V - 0 0 55 126,-2.5 125,-0.5 -2,-0.1 126,-0.1 -0.725 22.5-169.0 -89.0 127.0 48.0 37.8 13.8 118 118 A M - 0 0 36 -2,-0.4 13,-0.0 123,-0.1 6,-0.0 -0.919 19.8-143.3-112.5 101.5 45.4 36.9 11.3 119 119 A P - 0 0 35 0, 0.0 2,-1.5 0, 0.0 5,-0.1 -0.147 31.2 -97.2 -53.6 157.8 46.4 33.6 9.6 120 120 A E + 0 0 167 3,-0.0 2,-0.2 4,-0.0 3,-0.1 -0.163 68.2 151.1 -80.5 45.5 45.6 33.2 5.9 121 121 A W > - 0 0 49 -2,-1.5 3,-1.6 1,-0.1 95,-0.2 -0.475 55.3-102.1 -72.0 143.7 42.4 31.2 6.4 122 122 A E B 3 S+j 216 0E 114 93,-0.6 95,-3.3 1,-0.2 -1,-0.1 -0.427 110.9 31.9 -53.6 136.0 39.6 31.4 3.9 123 123 A G T > S+ 0 0 20 93,-0.2 3,-2.7 -2,-0.1 -1,-0.2 0.326 73.7 134.4 91.2 -7.8 36.9 33.8 5.3 124 124 A R T < S+ 0 0 67 -3,-1.6 -2,-0.1 1,-0.3 5,-0.1 0.761 75.0 47.8 -32.0 -42.6 39.3 36.0 7.2 125 125 A D T 3 S+ 0 0 132 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.294 80.1 126.2 -96.9 3.8 37.5 39.1 5.8 126 126 A L S X S- 0 0 29 -3,-2.7 3,-1.7 1,-0.1 96,-0.2 -0.390 72.5 -99.9 -63.4 140.2 33.9 38.0 6.6 127 127 A Q B 3 S+m 222 0F 135 94,-2.0 96,-2.6 1,-0.2 -1,-0.1 -0.427 111.2 35.5 -61.8 133.0 31.9 40.6 8.6 128 128 A G T 3 S+ 0 0 3 1,-0.3 110,-2.7 94,-0.2 2,-0.6 0.382 86.2 114.9 98.2 -2.4 31.8 39.6 12.2 129 129 A V E < -n 238 0G 17 -3,-1.7 2,-0.3 108,-0.2 -1,-0.3 -0.920 49.9-179.6 -98.9 120.2 35.4 38.1 12.2 130 130 A H E -n 239 0G 8 108,-3.0 110,-2.8 -2,-0.6 2,-0.3 -0.916 32.0-158.3-132.1 144.3 37.4 40.3 14.5 131 131 A L - 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0 0 39 -2,-0.4 2,-0.5 108,-0.2 110,-0.1 -0.783 24.7-138.5-101.9 157.8 41.0 41.5 79.2 577 132 B L + 0 0 9 108,-0.5 3,-0.1 -2,-0.3 29,-0.0 -0.914 57.6 104.3-124.6 111.0 41.3 39.5 76.0 578 133 B K S S+ 0 0 31 -2,-0.5 2,-0.2 1,-0.3 -89,-0.1 0.507 70.3 39.8-138.2 -46.1 44.0 36.9 75.5 579 134 B T S > S- 0 0 42 1,-0.1 4,-1.8 -90,-0.0 -1,-0.3 -0.477 81.3-102.0-113.4 171.9 42.7 33.4 75.8 580 135 B I H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.932 123.7 49.7 -61.1 -48.0 39.8 31.2 74.8 581 136 B P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.915 106.5 57.1 -57.3 -39.2 38.3 31.4 78.4 582 137 B D H > S+ 0 0 18 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.910 109.2 45.5 -52.7 -47.6 38.8 35.2 78.2 583 138 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.2 0.886 111.0 52.8 -61.4 -42.6 36.6 35.3 75.1 584 139 B E H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.857 106.0 53.5 -65.6 -36.6 34.0 32.9 76.7 585 140 B R H X S+ 0 0 117 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.780 108.7 49.6 -67.2 -29.7 33.8 35.2 79.7 586 141 B I H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.890 110.5 50.0 -73.0 -41.0 33.0 38.2 77.4 587 142 B L H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.837 108.3 54.0 -62.6 -35.7 30.4 36.0 75.7 588 143 B K H X S+ 0 0 105 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.909 108.7 47.8 -64.2 -43.3 29.0 35.2 79.1 589 144 B T H X S+ 0 0 16 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.889 114.4 46.9 -63.7 -40.0 28.7 38.9 79.9 590 145 B L H < S+ 0 0 30 -4,-2.2 5,-0.3 2,-0.2 -2,-0.2 0.868 117.4 43.8 -67.9 -36.4 27.0 39.5 76.5 591 146 B E H < S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.958 120.4 35.3 -74.8 -52.5 24.6 36.5 77.0 592 147 B T H < S+ 0 0 96 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 0.506 113.6 58.8 -87.9 -7.3 23.5 37.0 80.6 593 148 B N S < S- 0 0 47 -4,-1.1 2,-1.3 -5,-0.2 88,-0.0 -0.836 82.8-111.7-123.4 159.8 23.4 40.8 80.8 594 149 B K - 0 0 171 -2,-0.3 2,-0.6 87,-0.0 -4,-0.1 -0.700 44.8-178.5 -86.5 85.7 21.7 43.8 79.0 595 150 B V + 0 0 9 -2,-1.3 3,-0.1 -5,-0.3 -2,-0.0 -0.782 26.5 137.6 -93.0 118.1 24.7 45.3 77.2 596 151 B E + 0 0 116 -2,-0.6 24,-3.0 1,-0.3 2,-0.5 0.581 64.9 52.4-124.2 -32.9 24.1 48.4 75.2 597 152 B D E -o 620 0S 29 22,-0.2 84,-2.8 24,-0.0 85,-0.8 -0.935 63.8-175.2-111.6 127.7 27.1 50.7 76.0 598 153 B V E -op 621 682S 0 22,-2.7 24,-2.6 -2,-0.5 2,-0.5 -0.982 7.2-162.6-125.2 130.7 30.7 49.3 75.6 599 154 B T E -op 622 683S 0 83,-2.2 85,-2.2 -2,-0.4 2,-0.5 -0.958 3.7-162.1-116.0 128.7 33.9 51.2 76.6 600 155 B I E -op 623 684S 0 22,-3.0 24,-2.9 -2,-0.5 2,-0.6 -0.934 6.3-152.8-109.4 127.1 37.3 50.1 75.3 601 156 B I E +op 624 685S 8 83,-3.0 85,-3.1 -2,-0.5 24,-0.2 -0.914 68.9 33.7-100.9 118.0 40.4 51.3 77.0 602 157 B G - 0 0 8 22,-2.7 2,-0.3 -2,-0.6 23,-0.2 0.459 64.7-139.6 106.0 116.6 43.4 51.4 74.6 603 158 B G + 0 0 0 4,-0.1 28,-3.0 26,-0.1 29,-0.3 -0.292 67.2 103.7-101.2 46.9 43.2 52.3 70.9 604 159 B G S > S- 0 0 29 82,-0.5 4,-2.6 -2,-0.3 5,-0.2 -0.120 90.9 -54.5-107.1-154.1 45.7 49.7 69.7 605 160 B A H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 133.7 38.8 -60.7 -47.9 45.4 46.4 67.9 606 161 B I H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 117.1 51.9 -70.2 -39.8 43.0 44.6 70.2 607 162 B G H > S+ 0 0 0 79,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.878 110.3 48.6 -63.6 -39.2 41.0 47.8 70.9 608 163 B L H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.956 114.3 42.8 -67.7 -51.4 40.5 48.4 67.2 609 164 B E H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.874 116.0 49.3 -63.1 -40.1 39.4 44.9 66.2 610 165 B M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.763 103.2 60.5 -73.0 -26.7 37.1 44.6 69.2 611 166 B A H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.896 107.4 47.1 -61.4 -40.0 35.6 48.1 68.4 612 167 B E H X S+ 0 0 2 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.967 111.7 50.2 -61.9 -53.2 34.5 46.5 65.2 613 168 B T H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.901 112.5 45.2 -51.9 -50.7 33.2 43.4 67.0 614 169 B F H <>S+ 0 0 0 -4,-2.8 5,-2.9 2,-0.2 -1,-0.2 0.808 113.0 50.8 -68.6 -30.8 31.1 45.4 69.5 615 170 B V H ><5S+ 0 0 32 -4,-1.7 3,-2.1 3,-0.2 -2,-0.2 0.945 110.2 50.5 -66.5 -47.0 29.8 47.7 66.7 616 171 B E H 3<5S+ 0 0 99 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.829 104.8 56.2 -58.4 -36.1 28.8 44.6 64.7 617 172 B L T 3<5S- 0 0 60 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.309 124.7-109.7 -77.0 6.8 27.0 43.2 67.8 618 173 B G T < 5 + 0 0 64 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.746 68.5 145.7 73.4 28.7 25.1 46.5 67.6 619 174 B K < - 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